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2010 – 2019
- 2017
[j5]Miquel Torrent-Sucarrat
, Sara Navarro, Fernando P. Cossío, Josep M. Anglada, Josep M. Luis:
Relevance of the DFT method to study expanded porphyrins with different topologies. J. Comput. Chem. 38(32): 2819-2828 (2017)- 2013
- [j4]Aggelos Avramopoulos, Heribert Reis, Josep M. Luis, Manthos G. Papadopoulos:
On the Vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF. J. Comput. Chem. 34(17): 1446-1455 (2013) - [j3]Ireneusz W. Bulik, Robert Zalesny, Wojciech Bartkowiak, Josep M. Luis, Bernard Kirtman, Gustavo E. Scuseria, Aggelos Avramopoulos, Heribert Reis, Manthos G. Papadopoulos:
Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. J. Comput. Chem. 34(20): 1775-1784 (2013) - 2011
- [j2]Heribert Reis, Oleksandr Loboda, Aggelos Avramopoulos, Manthos G. Papadopoulos, Bernard Kirtman, Josep M. Luis, Robert Zalesny:
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+. J. Comput. Chem. 32(5): 908-914 (2011)
2000 – 2009
- 2000
- [j1]Bernard Kirtman, Benoît Champagne, Josep M. Luis:
Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties. J. Comput. Chem. 21(16): 1572-1588 (2000)
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